 Entering Gaussian System, Link 0=g09
 Input=/home/long/gaussian/Cu_coord output1/plusglu/ligand_bound/newligand/Energy Calculations/crystal_high_Cu_mut_Ligand_nometal_Energy.com
 Output=/home/long/gaussian/Cu_coord output1/plusglu/ligand_bound/newligand/Energy Calculations/crystal_high_Cu_mut_Ligand_nometal_Energy.log
 Initial command:
 /home/long/gaussian/g09/l1.exe "/home/long/gaussian/Gau-8576.inp" -scrdir="/home/long/gaussian/"
 Entering Link 1 = /home/long/gaussian/g09/l1.exe PID=      8579.
  
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 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
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 Carnegie Mellon University). Gaussian is a federally registered
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 Cite this work as:
 Gaussian 09, Revision D.01,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, 
 G. A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H. P. Hratchian, 
 A. F. Izmaylov, J. Bloino, G. Zheng, J. L. Sonnenberg, M. Hada, 
 M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, 
 Y. Honda, O. Kitao, H. Nakai, T. Vreven, J. A. Montgomery, Jr., 
 J. E. Peralta, F. Ogliaro, M. Bearpark, J. J. Heyd, E. Brothers, 
 K. N. Kudin, V. N. Staroverov, T. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi, 
 M. Cossi, N. Rega, J. M. Millam, M. Klene, J. E. Knox, J. B. Cross, 
 V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, 
 O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, 
 R. L. Martin, K. Morokuma, V. G. Zakrzewski, G. A. Voth, 
 P. Salvador, J. J. Dannenberg, S. Dapprich, A. D. Daniels, 
 O. Farkas, J. B. Foresman, J. V. Ortiz, J. Cioslowski, 
 and D. J. Fox, Gaussian, Inc., Wallingford CT, 2013.
 
 ******************************************
 Gaussian 09:  ES64L-G09RevD.01 24-Apr-2013
                27-Jun-2020 
 ******************************************
 %mem=6GB
 %chk=crystal_high_Cu_mut_Ligand_nometal_Energy.chk
 --------------------------------------------
 # b3pw91/6-311++g(3df,3pd) geom=connectivity
 --------------------------------------------
 1/38=1,57=2/1;
 2/12=2,17=6,18=5,40=1/2;
 3/5=4,6=6,7=1616,11=2,16=1,25=1,30=1,74=-6/1,2,3;
 4//1;
 5/5=2,38=5/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 99/5=1,9=1/99;
 ----
 5h8x
 ----
 Symbolic Z-matrix:
 Charge = -1 Multiplicity = 1
 C                    -1   -5.937     0.88711   1.04687 
 C                    0    -6.21107  -0.17544  -0.03795 
 C                    0    -5.15218  -1.29432  -0.07819 
 C                    0    -3.79252  -0.85158  -0.608 
 O                    0    -3.59703   0.21385  -1.24428 
 O                    0    -2.80401  -1.74571  -0.35329 
 C                    -1   -3.11195   3.76866  -2.61904 
 C                    0    -1.7723    3.84686  -3.38385 
 C                    0    -0.73586   2.91618  -2.81428 
 C                    0    -0.80494   1.97481  -1.80063 
 N                    0     0.57965   2.82539  -3.30827 
 C                    0     1.2523    1.85248  -2.60827 
 N                    0     0.43583   1.32869  -1.68532 
 C                    -1    3.9427    4.31987   1.66161 
 C                    0     4.34229   2.97325   2.30004 
 C                    0     3.57404   1.80517   1.74064 
 C                    0     2.52642   1.71631   0.83699 
 N                    0     3.84279   0.47553   2.10946 
 C                    0     2.97718  -0.35561   1.44085 
 N                    0     2.17161   0.37416   0.66155 
 H                    0    -4.97934   1.38986   0.86296 
 H                    0    -5.90821   0.43193   2.048 
 H                    0    -6.72287   1.65299   1.05282 
 H                    0    -7.19534  -0.63242   0.13745 
 H                    0    -6.25057   0.31169  -1.02028 
 H                    0    -5.00432  -1.74122   0.91427 
 H                    0    -5.48886  -2.11387  -0.73152 
 H                    0    -3.50479   2.74551  -2.60424 
 H                    0    -3.85611   4.41725  -3.09507 
 H                    0    -2.9909    4.09776  -1.57959 
 H                    0    -1.94526   3.59636  -4.44187 
 H                    0    -1.3981    4.88201  -3.36539 
 H                    0    -1.64898   1.68352  -1.19672 
 H                    0     0.9604    3.37473  -4.06832 
 H                    0     2.26526   1.53609  -2.79583 
 H                    0     4.12598   4.31599   0.58016 
 H                    0     2.88166   4.54027   1.83076 
 H                    0     4.5284    5.13491   2.10054 
 H                    0     4.18462   3.02944   3.3878 
 H                    0     5.42016   2.80844   2.1506 
 H                    0     2.00574   2.50418   0.3213 
 H                    0     4.55168   0.18129   2.76937 
 H                    0     2.94206  -1.42771   1.53747 
 O                    0    -0.65369  -1.26457  -1.4842 
 H                    0    -0.86752  -0.79914  -2.31816 
 H                    0    -1.85448  -1.50267  -0.82537 
 C                    0     3.35636  -1.95788  -1.87391 
 O                    0     2.58663  -0.96927  -2.03815 
 N                    0     2.8659   -3.21864  -1.62824 
 C                    0     1.43604  -3.51975  -1.66767 
 C                    0     0.72512  -3.41267  -0.31315 
 O                    0     0.9671   -2.44144   0.4881 
 N                    0    -0.20018  -4.35998  -0.05581 
 H                    0     0.93385  -2.77163  -2.2935 
 H                    0     1.28883  -4.51183  -2.11004 
 H                    0     3.51929  -3.97765  -1.4774 
 H                    0    -0.34655  -5.08397  -0.75064 
 C                    0    -1.14912  -4.30198   1.07361 
 H                    0    -1.72924  -5.22865   1.08807 
 H                    0    -0.60429  -4.21664   2.01974 
 H                    0    -1.82887  -3.45122   0.95144 
 C                    0     4.86643  -1.81936  -1.95097 
 H                    0     5.14676  -1.52699  -2.96963 
 H                    0     5.18885  -1.01586  -1.28056 
 H                    0     5.40043  -2.73986  -1.69266 
 C                    0    -1.75209   0.77595   4.60553 
 H                    0    -1.70805  -0.23122   5.04925 
 H                    0    -2.59068   1.28081   5.10325 
 C                    0    -2.07998   0.69567   3.09442 
 H                    0    -3.06345   0.22425   2.94851 
 H                    0    -2.14582   1.70208   2.6685 
 O                    0    -0.73301   0.36619   1.09666 
 C                    0    -1.07954  -0.07172   2.23674 
 N                    0    -0.58773  -1.25141   2.7101 
 H                    0    -0.86645  -1.60807   3.61341 
 H                    0     0.00221  -1.81481   2.09327 
 C                    0    -0.4459    1.54072   4.90736 
 H                    0    -0.50353   2.56978   4.52936 
 H                    0    -0.26126   1.589     5.98761 
 H                    0     0.42104   1.05746   4.43694 
 
 Stoichiometry    C23H44N7O6(1-)
 Framework group  C1[X(C23H44N7O6)]
 Deg. of freedom   234
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        5.849715   -0.876187    1.071697
      2          6           0        6.142185    0.160228   -0.033404
      3          6           0        5.092296    1.285790   -0.108346
      4          6           0        3.734403    0.841633   -0.641472
      5          8           0        3.536838   -0.236024   -1.256160
      6          8           0        2.750363    1.748449   -0.415963
      7          6           0        3.037743   -3.816452   -2.557457
      8          6           0        1.704863   -3.901478   -3.333295
      9          6           0        0.670189   -2.950854   -2.794272
     10          6           0        0.736807   -1.988001   -1.800838
     11          7           0       -0.639833   -2.861171   -3.302830
     12          6           0       -1.311660   -1.868168   -2.630819
     13          7           0       -0.500029   -1.330314   -1.711700
     14          6           0       -4.061290   -4.221219    1.665783
     15          6           0       -4.456650   -2.857979    2.270714
     16          6           0       -3.674219   -1.708194    1.693349
     17          6           0       -2.617410   -1.646962    0.798144
     18          7           0       -3.936309   -0.368815    2.030381
     19          6           0       -3.058066    0.440998    1.352157
     20          7           0       -2.250716   -0.311654    0.596833
     21          1           0        4.890043   -1.375735    0.889569
     22          1           0        5.814879   -0.398945    2.062301
     23          1           0        6.629630   -1.647566    1.102002
     24          1           0        7.128210    0.613637    0.141469
     25          1           0        6.187310   -0.348618   -1.004417
     26          1           0        4.938430    1.755447    0.872617
     27          1           0        5.441423    2.088278   -0.776165
     28          1           0        3.438219   -2.796172   -2.561242
     29          1           0        3.781426   -4.480838   -3.011969
     30          1           0        2.904300   -4.121753   -1.512278
     31          1           0        1.889783   -3.675548   -4.394822
     32          1           0        1.322619   -4.933165   -3.295815
     33          1           0        1.577264   -1.689798   -1.195303
     34          1           0       -1.017522   -3.424212   -4.054335
     35          1           0       -2.320351   -1.548453   -2.835051
     36          1           0       -4.234247   -4.239708    0.582788
     37          1           0       -3.003619   -4.445717    1.849968
     38          1           0       -4.657339   -5.022057    2.116747
     39          1           0       -4.309762   -2.891453    3.360917
     40          1           0       -5.531760   -2.688494    2.107277
     41          1           0       -2.097876   -2.449805    0.304876
     42          1           0       -4.649177   -0.054911    2.676812
     43          1           0       -3.015683    1.514670    1.425629
     44          8           0        0.607287    1.258573   -1.556821
     45          1           0        0.825477    0.773379   -2.378289
     46          1           0        1.803540    1.502155   -0.891774
     47          6           0       -3.393469    1.972902   -2.000375
     48          8           0       -2.629775    0.975244   -2.135493
     49          7           0       -2.895761    3.235082   -1.777604
     50          6           0       -1.463330    3.524627   -1.809780
     51          6           0       -0.766163    3.442026   -0.446427
     52          8           0       -1.023158    2.490443    0.373492
     53          7           0        0.163852    4.387868   -0.200940
     54          1           0       -0.960937    2.759251   -2.414212
     55          1           0       -1.304353    4.505646   -2.272304
     56          1           0       -3.544745    4.002043   -1.649736
     57          1           0        0.322338    5.095324   -0.909988
     58          6           0        1.101542    4.347622    0.938603
     59          1           0        1.688551    5.270055    0.938405
     60          1           0        0.547104    4.287114    1.881067
     61          1           0        1.775907    3.489371    0.841657
     62          6           0       -4.903756    1.843936   -2.088988
     63          1           0       -5.176607    1.531372   -3.103678
     64          1           0       -5.238652    1.057762   -1.404317
     65          1           0       -5.433146    2.773818   -1.856054
     66          6           0        1.632133   -0.655898    4.586424
     67          1           0        1.591558    0.361062    5.007561
     68          1           0        2.462070   -1.155923    5.103162
     69          6           0        1.974979   -0.611239    3.077162
     70          1           0        2.963362   -0.150444    2.930495
     71          1           0        2.037185   -1.627219    2.674018
     72          8           0        0.649617   -0.315694    1.059736
     73          6           0        0.988616    0.144542    2.193266
     74          7           0        0.501346    1.337954    2.635930
     75          1           0        0.774185    1.712277    3.533874
     76          1           0       -0.078384    1.892049    2.001242
     77          6           0        0.317330   -1.404147    4.892268
     78          1           0        0.370701   -2.441650    4.537436
     79          1           0        0.122066   -1.427340    5.971476
     80          1           0       -0.541384   -0.924905    4.403022
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0992093      0.0758182      0.0714917
 Standard basis: 6-311++G(3df,3pd) (5D, 7F)
 There are  2456 symmetry adapted cartesian basis functions of A   symmetry.
 There are  2196 symmetry adapted basis functions of A   symmetry.
  2196 basis functions,  3012 primitive gaussians,  2456 cartesian basis functions
   140 alpha electrons      140 beta electrons
       nuclear repulsion energy      4351.1785528821 Hartrees.
 NAtoms=   80 NActive=   80 NUniq=   80 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  2196 RedAO= T EigKep=  1.32D-06  NBF=  2196
 NBsUse=  2193 1.00D-06 EigRej=  8.34D-07 NBFU=  2193
 ExpMin= 3.60D-02 ExpMax= 8.59D+03 ExpMxC= 1.30D+03 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor=  408 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor=  408 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Restarting incremental Fock formation.
 SCF Done:  E(RB3PW91) =  -1737.51798246     A.U. after   24 cycles
            NFock= 24  Conv=0.34D-08     -V/T= 2.0058

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
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                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
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                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
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                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
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                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
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                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -18.95152 -18.94985 -18.94731 -18.93585 -18.91957
 Alpha  occ. eigenvalues --  -18.81144 -14.23966 -14.22859 -14.22666 -14.21925
 Alpha  occ. eigenvalues --  -14.18345 -14.14125 -14.12140 -10.14661 -10.14089
 Alpha  occ. eigenvalues --  -10.13018 -10.11539 -10.08466 -10.08439 -10.08428
 Alpha  occ. eigenvalues --  -10.07853 -10.07588 -10.07278 -10.07202 -10.07030
 Alpha  occ. eigenvalues --  -10.06055 -10.06009 -10.05933 -10.05454 -10.05241
 Alpha  occ. eigenvalues --  -10.05202 -10.04960 -10.04688 -10.04193 -10.04050
 Alpha  occ. eigenvalues --  -10.01533  -0.89855  -0.89783  -0.88655  -0.87966
 Alpha  occ. eigenvalues --   -0.86059  -0.85794  -0.81582  -0.80615  -0.80387
 Alpha  occ. eigenvalues --   -0.75885  -0.73017  -0.70839  -0.69612  -0.69151
 Alpha  occ. eigenvalues --   -0.68209  -0.67130  -0.66753  -0.65751  -0.62357
 Alpha  occ. eigenvalues --   -0.60939  -0.60004  -0.59369  -0.58472  -0.57524
 Alpha  occ. eigenvalues --   -0.54100  -0.51556  -0.51136  -0.49980  -0.48479
 Alpha  occ. eigenvalues --   -0.48343  -0.47404  -0.46316  -0.45738  -0.44877
 Alpha  occ. eigenvalues --   -0.43306  -0.41896  -0.41443  -0.40982  -0.40838
 Alpha  occ. eigenvalues --   -0.39264  -0.38544  -0.36907  -0.36291  -0.36040
 Alpha  occ. eigenvalues --   -0.35648  -0.35465  -0.34839  -0.34592  -0.34449
 Alpha  occ. eigenvalues --   -0.34320  -0.33918  -0.33515  -0.32711  -0.32024
 Alpha  occ. eigenvalues --   -0.31833  -0.31674  -0.30722  -0.30231  -0.30209
 Alpha  occ. eigenvalues --   -0.29775  -0.29215  -0.28889  -0.28864  -0.28795
 Alpha  occ. eigenvalues --   -0.28083  -0.28021  -0.27582  -0.27285  -0.27210
 Alpha  occ. eigenvalues --   -0.26974  -0.26797  -0.26561  -0.26408  -0.25883
 Alpha  occ. eigenvalues --   -0.25223  -0.25102  -0.24467  -0.24268  -0.23985
 Alpha  occ. eigenvalues --   -0.23900  -0.23841  -0.23272  -0.23169  -0.22868
 Alpha  occ. eigenvalues --   -0.22244  -0.21698  -0.20406  -0.15943  -0.15567
 Alpha  occ. eigenvalues --   -0.14609  -0.13841  -0.13562  -0.13143  -0.12567
 Alpha  occ. eigenvalues --   -0.12238  -0.12042  -0.11355  -0.11234  -0.10335
 Alpha  occ. eigenvalues --   -0.08951  -0.08746  -0.08143  -0.03089  -0.01303
 Alpha virt. eigenvalues --    0.06370   0.06866   0.07251   0.07758   0.07927
 Alpha virt. eigenvalues --    0.08252   0.08417   0.08731   0.09392   0.09515
 Alpha virt. eigenvalues --    0.09667   0.09976   0.10310   0.10435   0.10845
 Alpha virt. eigenvalues --    0.11199   0.11353   0.11610   0.11852   0.11919
 Alpha virt. eigenvalues --    0.12281   0.12438   0.12683   0.12882   0.13246
 Alpha virt. eigenvalues --    0.13445   0.13559   0.13599   0.13830   0.14129
 Alpha virt. eigenvalues --    0.14148   0.14579   0.14768   0.14849   0.15185
 Alpha virt. eigenvalues --    0.15348   0.15498   0.15687   0.15825   0.16288
 Alpha virt. eigenvalues --    0.16418   0.16485   0.16644   0.16876   0.17054
 Alpha virt. eigenvalues --    0.17421   0.17506   0.17903   0.17942   0.18209
 Alpha virt. eigenvalues --    0.18325   0.18379   0.18642   0.18825   0.18956
 Alpha virt. eigenvalues --    0.19047   0.19254   0.19286   0.19459   0.19674
 Alpha virt. eigenvalues --    0.19780   0.19904   0.20053   0.20199   0.20292
 Alpha virt. eigenvalues --    0.20430   0.20474   0.20809   0.20889   0.21071
 Alpha virt. eigenvalues --    0.21420   0.21487   0.21626   0.21762   0.21819
 Alpha virt. eigenvalues --    0.21856   0.22033   0.22222   0.22417   0.22701
 Alpha virt. eigenvalues --    0.22889   0.23011   0.23099   0.23268   0.23421
 Alpha virt. eigenvalues --    0.23609   0.23707   0.23904   0.23986   0.24259
 Alpha virt. eigenvalues --    0.24267   0.24426   0.24550   0.24610   0.24961
 Alpha virt. eigenvalues --    0.25132   0.25454   0.25617   0.25691   0.25812
 Alpha virt. eigenvalues --    0.25878   0.26126   0.26246   0.26449   0.26513
 Alpha virt. eigenvalues --    0.26809   0.26915   0.26945   0.27171   0.27307
 Alpha virt. eigenvalues --    0.27361   0.27548   0.27744   0.27989   0.28225
 Alpha virt. eigenvalues --    0.28309   0.28610   0.28663   0.28731   0.28951
 Alpha virt. eigenvalues --    0.29068   0.29276   0.29394   0.29539   0.29728
 Alpha virt. eigenvalues --    0.29971   0.30041   0.30116   0.30293   0.30381
 Alpha virt. eigenvalues --    0.30565   0.30759   0.30919   0.31085   0.31284
 Alpha virt. eigenvalues --    0.31395   0.31676   0.31760   0.32229   0.32351
 Alpha virt. eigenvalues --    0.32480   0.32617   0.32758   0.33040   0.33076
 Alpha virt. eigenvalues --    0.33296   0.33552   0.33659   0.33754   0.34234
 Alpha virt. eigenvalues --    0.34255   0.34542   0.34638   0.34853   0.34876
 Alpha virt. eigenvalues --    0.35175   0.35264   0.35290   0.35567   0.35709
 Alpha virt. eigenvalues --    0.36002   0.36164   0.36262   0.36335   0.36398
 Alpha virt. eigenvalues --    0.36656   0.36920   0.37063   0.37242   0.37483
 Alpha virt. eigenvalues --    0.37540   0.37680   0.37858   0.38042   0.38318
 Alpha virt. eigenvalues --    0.38380   0.38529   0.38769   0.38962   0.39185
 Alpha virt. eigenvalues --    0.39315   0.39504   0.39700   0.39971   0.40099
 Alpha virt. eigenvalues --    0.40199   0.40288   0.40573   0.40737   0.40833
 Alpha virt. eigenvalues --    0.41228   0.41280   0.41444   0.41486   0.41728
 Alpha virt. eigenvalues --    0.42084   0.42169   0.42376   0.42590   0.42712
 Alpha virt. eigenvalues --    0.42846   0.43037   0.43128   0.43311   0.43404
 Alpha virt. eigenvalues --    0.43682   0.43802   0.43923   0.44180   0.44454
 Alpha virt. eigenvalues --    0.44557   0.44722   0.44773   0.45103   0.45350
 Alpha virt. eigenvalues --    0.45558   0.45720   0.45931   0.46068   0.46280
 Alpha virt. eigenvalues --    0.46344   0.46661   0.46791   0.46986   0.47172
 Alpha virt. eigenvalues --    0.47236   0.47475   0.47692   0.47820   0.47932
 Alpha virt. eigenvalues --    0.48235   0.48584   0.48653   0.48894   0.49016
 Alpha virt. eigenvalues --    0.49275   0.49418   0.49668   0.49820   0.50004
 Alpha virt. eigenvalues --    0.50177   0.50506   0.50581   0.50757   0.50897
 Alpha virt. eigenvalues --    0.51249   0.51381   0.51800   0.51983   0.52104
 Alpha virt. eigenvalues --    0.52426   0.52731   0.53058   0.53320   0.53382
 Alpha virt. eigenvalues --    0.53525   0.53752   0.53887   0.54034   0.54429
 Alpha virt. eigenvalues --    0.54456   0.54712   0.54837   0.55005   0.55389
 Alpha virt. eigenvalues --    0.55677   0.55836   0.55941   0.56264   0.56417
 Alpha virt. eigenvalues --    0.56700   0.56707   0.56909   0.57186   0.57292
 Alpha virt. eigenvalues --    0.57404   0.57684   0.57884   0.57899   0.58295
 Alpha virt. eigenvalues --    0.58630   0.58727   0.58953   0.59229   0.59499
 Alpha virt. eigenvalues --    0.59640   0.60025   0.60214   0.60370   0.60487
 Alpha virt. eigenvalues --    0.60632   0.60924   0.61082   0.61242   0.61534
 Alpha virt. eigenvalues --    0.61717   0.62024   0.62292   0.62430   0.62520
 Alpha virt. eigenvalues --    0.62712   0.63069   0.63313   0.63470   0.63501
 Alpha virt. eigenvalues --    0.63649   0.63806   0.64001   0.64204   0.64347
 Alpha virt. eigenvalues --    0.64649   0.64783   0.64873   0.65158   0.65222
 Alpha virt. eigenvalues --    0.65305   0.65660   0.65797   0.65894   0.66028
 Alpha virt. eigenvalues --    0.66254   0.66380   0.66461   0.66712   0.66885
 Alpha virt. eigenvalues --    0.66969   0.67190   0.67322   0.67352   0.67616
 Alpha virt. eigenvalues --    0.67743   0.67900   0.68054   0.68334   0.68394
 Alpha virt. eigenvalues --    0.68634   0.68798   0.69067   0.69081   0.69125
 Alpha virt. eigenvalues --    0.69339   0.69419   0.69649   0.69884   0.70162
 Alpha virt. eigenvalues --    0.70292   0.70341   0.70515   0.70824   0.70982
 Alpha virt. eigenvalues --    0.71097   0.71210   0.71494   0.71620   0.71692
 Alpha virt. eigenvalues --    0.71945   0.72122   0.72255   0.72467   0.72601
 Alpha virt. eigenvalues --    0.72827   0.73007   0.73205   0.73269   0.73406
 Alpha virt. eigenvalues --    0.73749   0.73862   0.74145   0.74225   0.74492
 Alpha virt. eigenvalues --    0.74638   0.74895   0.75025   0.75344   0.75439
 Alpha virt. eigenvalues --    0.75730   0.75967   0.76006   0.76213   0.76279
 Alpha virt. eigenvalues --    0.76726   0.76736   0.77026   0.77313   0.77467
 Alpha virt. eigenvalues --    0.77599   0.77778   0.78093   0.78541   0.78914
 Alpha virt. eigenvalues --    0.78940   0.79176   0.79301   0.79560   0.79729
 Alpha virt. eigenvalues --    0.79922   0.80143   0.80473   0.80528   0.80773
 Alpha virt. eigenvalues --    0.80886   0.81197   0.81575   0.81780   0.82115
 Alpha virt. eigenvalues --    0.82457   0.82600   0.82759   0.82769   0.82938
 Alpha virt. eigenvalues --    0.83026   0.83451   0.83544   0.83905   0.84150
 Alpha virt. eigenvalues --    0.84174   0.84472   0.84607   0.84645   0.85237
 Alpha virt. eigenvalues --    0.85413   0.85578   0.85753   0.85776   0.86236
 Alpha virt. eigenvalues --    0.86403   0.86448   0.86843   0.87215   0.87369
 Alpha virt. eigenvalues --    0.87450   0.87685   0.87968   0.88262   0.88353
 Alpha virt. eigenvalues --    0.88646   0.88706   0.88810   0.89119   0.89341
 Alpha virt. eigenvalues --    0.89657   0.89928   0.90146   0.90314   0.90525
 Alpha virt. eigenvalues --    0.90611   0.91118   0.91157   0.91298   0.91446
 Alpha virt. eigenvalues --    0.91627   0.91895   0.92141   0.92284   0.92511
 Alpha virt. eigenvalues --    0.92633   0.92732   0.92830   0.93168   0.93301
 Alpha virt. eigenvalues --    0.93544   0.93759   0.93947   0.94262   0.94559
 Alpha virt. eigenvalues --    0.94611   0.94763   0.94962   0.95359   0.95558
 Alpha virt. eigenvalues --    0.95592   0.95826   0.95947   0.96055   0.96134
 Alpha virt. eigenvalues --    0.96453   0.96791   0.96967   0.97176   0.97351
 Alpha virt. eigenvalues --    0.97528   0.97576   0.98012   0.98153   0.98348
 Alpha virt. eigenvalues --    0.98664   0.98690   0.98937   0.99042   0.99329
 Alpha virt. eigenvalues --    0.99560   0.99638   1.00091   1.00199   1.00429
 Alpha virt. eigenvalues --    1.00575   1.00638   1.00734   1.01175   1.01351
 Alpha virt. eigenvalues --    1.01520   1.01750   1.02316   1.02462   1.02541
 Alpha virt. eigenvalues --    1.02798   1.02914   1.03027   1.03146   1.03680
 Alpha virt. eigenvalues --    1.03787   1.04096   1.04275   1.04424   1.04915
 Alpha virt. eigenvalues --    1.04934   1.05239   1.05413   1.05525   1.05623
 Alpha virt. eigenvalues --    1.05953   1.06273   1.06550   1.06602   1.06825
 Alpha virt. eigenvalues --    1.06886   1.06919   1.07373   1.07648   1.07773
 Alpha virt. eigenvalues --    1.08287   1.08598   1.08646   1.09045   1.09156
 Alpha virt. eigenvalues --    1.09314   1.09741   1.09827   1.10211   1.10225
 Alpha virt. eigenvalues --    1.10346   1.10525   1.11139   1.11353   1.11466
 Alpha virt. eigenvalues --    1.11818   1.12046   1.12260   1.12374   1.12565
 Alpha virt. eigenvalues --    1.13034   1.13168   1.13223   1.13226   1.13850
 Alpha virt. eigenvalues --    1.13989   1.14308   1.14458   1.14489   1.15044
 Alpha virt. eigenvalues --    1.15071   1.15546   1.15645   1.15737   1.16136
 Alpha virt. eigenvalues --    1.16468   1.16712   1.16831   1.16949   1.17130
 Alpha virt. eigenvalues --    1.17574   1.17625   1.17828   1.17994   1.18081
 Alpha virt. eigenvalues --    1.18457   1.18654   1.19071   1.19115   1.19386
 Alpha virt. eigenvalues --    1.19504   1.19786   1.20272   1.20674   1.20799
 Alpha virt. eigenvalues --    1.21034   1.21293   1.21467   1.21603   1.21818
 Alpha virt. eigenvalues --    1.22122   1.22582   1.22646   1.23215   1.23248
 Alpha virt. eigenvalues --    1.23497   1.23784   1.24033   1.24283   1.24541
 Alpha virt. eigenvalues --    1.24888   1.25163   1.25415   1.25465   1.26025
 Alpha virt. eigenvalues --    1.26481   1.26820   1.27000   1.27333   1.27564
 Alpha virt. eigenvalues --    1.27943   1.28092   1.28185   1.29126   1.29199
 Alpha virt. eigenvalues --    1.29280   1.29610   1.29846   1.30033   1.30344
 Alpha virt. eigenvalues --    1.30745   1.30881   1.31059   1.31622   1.32114
 Alpha virt. eigenvalues --    1.32168   1.32615   1.32900   1.33206   1.33548
 Alpha virt. eigenvalues --    1.33867   1.34404   1.34675   1.35101   1.35579
 Alpha virt. eigenvalues --    1.35839   1.36011   1.36478   1.36637   1.36957
 Alpha virt. eigenvalues --    1.37257   1.37587   1.37868   1.38136   1.38411
 Alpha virt. eigenvalues --    1.39045   1.39683   1.39842   1.40336   1.40832
 Alpha virt. eigenvalues --    1.41090   1.41242   1.41397   1.41992   1.42647
 Alpha virt. eigenvalues --    1.42996   1.43262   1.43497   1.44037   1.44543
 Alpha virt. eigenvalues --    1.44816   1.45093   1.45844   1.46045   1.46230
 Alpha virt. eigenvalues --    1.46485   1.47092   1.47362   1.47807   1.48349
 Alpha virt. eigenvalues --    1.48635   1.48919   1.49558   1.50092   1.50251
 Alpha virt. eigenvalues --    1.50602   1.50935   1.51852   1.52455   1.52633
 Alpha virt. eigenvalues --    1.52979   1.53690   1.54385   1.54647   1.54910
 Alpha virt. eigenvalues --    1.55267   1.56084   1.56292   1.56519   1.57001
 Alpha virt. eigenvalues --    1.57323   1.57917   1.58359   1.58732   1.59147
 Alpha virt. eigenvalues --    1.59722   1.59916   1.60334   1.60569   1.61108
 Alpha virt. eigenvalues --    1.61266   1.62178   1.62763   1.62831   1.63435
 Alpha virt. eigenvalues --    1.63893   1.64190   1.64677   1.64843   1.65171
 Alpha virt. eigenvalues --    1.65551   1.65822   1.66093   1.66579   1.67005
 Alpha virt. eigenvalues --    1.67147   1.67767   1.68237   1.68677   1.69290
 Alpha virt. eigenvalues --    1.69348   1.69928   1.70808   1.70975   1.71254
 Alpha virt. eigenvalues --    1.71908   1.72215   1.72716   1.72956   1.73216
 Alpha virt. eigenvalues --    1.73829   1.74250   1.74478   1.74753   1.75287
 Alpha virt. eigenvalues --    1.75673   1.76288   1.76355   1.76652   1.77251
 Alpha virt. eigenvalues --    1.77741   1.78068   1.78220   1.78932   1.79220
 Alpha virt. eigenvalues --    1.79370   1.79629   1.80050   1.80229   1.81121
 Alpha virt. eigenvalues --    1.81373   1.81798   1.82411   1.82640   1.83262
 Alpha virt. eigenvalues --    1.83290   1.83599   1.83829   1.84256   1.84763
 Alpha virt. eigenvalues --    1.84959   1.85141   1.85512   1.85608   1.86274
 Alpha virt. eigenvalues --    1.86494   1.86878   1.87029   1.87213   1.87688
 Alpha virt. eigenvalues --    1.88133   1.88358   1.88663   1.89087   1.89259
 Alpha virt. eigenvalues --    1.89369   1.89798   1.90114   1.90592   1.90828
 Alpha virt. eigenvalues --    1.91331   1.91630   1.91886   1.92036   1.92169
 Alpha virt. eigenvalues --    1.92689   1.92890   1.92907   1.93380   1.93776
 Alpha virt. eigenvalues --    1.93900   1.94227   1.94746   1.94992   1.95414
 Alpha virt. eigenvalues --    1.95637   1.95706   1.96175   1.96396   1.97107
 Alpha virt. eigenvalues --    1.97191   1.97450   1.97893   1.97918   1.98637
 Alpha virt. eigenvalues --    1.98799   1.98901   1.99392   1.99691   1.99913
 Alpha virt. eigenvalues --    2.00268   2.00539   2.00801   2.01186   2.01779
 Alpha virt. eigenvalues --    2.02199   2.02265   2.02758   2.03031   2.03243
 Alpha virt. eigenvalues --    2.03673   2.03955   2.04154   2.04620   2.04795
 Alpha virt. eigenvalues --    2.05094   2.05478   2.05744   2.06014   2.06305
 Alpha virt. eigenvalues --    2.06850   2.07127   2.07291   2.07529   2.08141
 Alpha virt. eigenvalues --    2.08352   2.08712   2.09085   2.09385   2.09878
 Alpha virt. eigenvalues --    2.10082   2.10512   2.11434   2.11838   2.11859
 Alpha virt. eigenvalues --    2.12483   2.12617   2.13154   2.13271   2.13445
 Alpha virt. eigenvalues --    2.13836   2.13958   2.14327   2.14522   2.15284
 Alpha virt. eigenvalues --    2.15697   2.16149   2.16401   2.16444   2.16848
 Alpha virt. eigenvalues --    2.17301   2.17831   2.18202   2.18584   2.18894
 Alpha virt. eigenvalues --    2.19470   2.19681   2.19698   2.20352   2.20606
 Alpha virt. eigenvalues --    2.20873   2.21411   2.21833   2.22453   2.23051
 Alpha virt. eigenvalues --    2.23241   2.23465   2.24071   2.24393   2.24921
 Alpha virt. eigenvalues --    2.25420   2.25834   2.26411   2.26635   2.26945
 Alpha virt. eigenvalues --    2.27400   2.27843   2.28031   2.28745   2.29692
 Alpha virt. eigenvalues --    2.30062   2.30637   2.31067   2.31553   2.31938
 Alpha virt. eigenvalues --    2.32557   2.32840   2.33102   2.33927   2.34295
 Alpha virt. eigenvalues --    2.34903   2.35481   2.35937   2.36280   2.36621
 Alpha virt. eigenvalues --    2.37372   2.37836   2.37949   2.38498   2.38759
 Alpha virt. eigenvalues --    2.39301   2.39464   2.39994   2.40381   2.40498
 Alpha virt. eigenvalues --    2.41026   2.41752   2.42185   2.42574   2.43221
 Alpha virt. eigenvalues --    2.43302   2.44206   2.44395   2.45130   2.46492
 Alpha virt. eigenvalues --    2.46574   2.47221   2.47410   2.48010   2.48265
 Alpha virt. eigenvalues --    2.48807   2.49242   2.49577   2.50777   2.51269
 Alpha virt. eigenvalues --    2.52029   2.52157   2.52596   2.53003   2.53511
 Alpha virt. eigenvalues --    2.53687   2.53955   2.54389   2.54546   2.54947
 Alpha virt. eigenvalues --    2.55770   2.56139   2.56617   2.56798   2.57214
 Alpha virt. eigenvalues --    2.57710   2.57882   2.58210   2.58426   2.59051
 Alpha virt. eigenvalues --    2.59269   2.60105   2.60312   2.60865   2.61543
 Alpha virt. eigenvalues --    2.61944   2.61981   2.62603   2.62860   2.63050
 Alpha virt. eigenvalues --    2.63658   2.64029   2.64344   2.64616   2.65396
 Alpha virt. eigenvalues --    2.65587   2.66280   2.66754   2.67081   2.68106
 Alpha virt. eigenvalues --    2.68616   2.68865   2.69507   2.69685   2.70708
 Alpha virt. eigenvalues --    2.71059   2.71488   2.71768   2.72205   2.72890
 Alpha virt. eigenvalues --    2.73182   2.73378   2.73689   2.74184   2.74343
 Alpha virt. eigenvalues --    2.74580   2.75075   2.75320   2.75743   2.76189
 Alpha virt. eigenvalues --    2.76559   2.77003   2.77175   2.77560   2.77818
 Alpha virt. eigenvalues --    2.78159   2.78438   2.79107   2.79469   2.79755
 Alpha virt. eigenvalues --    2.80118   2.80496   2.80765   2.81031   2.81392
 Alpha virt. eigenvalues --    2.81744   2.82382   2.82714   2.83117   2.83207
 Alpha virt. eigenvalues --    2.83456   2.83832   2.84195   2.84549   2.84946
 Alpha virt. eigenvalues --    2.85569   2.85652   2.86031   2.86454   2.86895
 Alpha virt. eigenvalues --    2.87233   2.87559   2.87885   2.88602   2.89036
 Alpha virt. eigenvalues --    2.89494   2.89763   2.90292   2.90652   2.91290
 Alpha virt. eigenvalues --    2.91766   2.92215   2.92672   2.93195   2.93508
 Alpha virt. eigenvalues --    2.93652   2.94000   2.94026   2.94312   2.94751
 Alpha virt. eigenvalues --    2.95175   2.95622   2.95704   2.96248   2.96477
 Alpha virt. eigenvalues --    2.96902   2.97282   2.97929   2.99018   2.99530
 Alpha virt. eigenvalues --    2.99869   3.00834   3.01078   3.01412   3.01812
 Alpha virt. eigenvalues --    3.01950   3.02357   3.02862   3.03371   3.03922
 Alpha virt. eigenvalues --    3.04184   3.04217   3.04501   3.05050   3.05529
 Alpha virt. eigenvalues --    3.05992   3.06476   3.06675   3.07312   3.07560
 Alpha virt. eigenvalues --    3.07754   3.07901   3.08402   3.08873   3.09458
 Alpha virt. eigenvalues --    3.09586   3.10071   3.10273   3.10791   3.11281
 Alpha virt. eigenvalues --    3.11744   3.11787   3.11977   3.12237   3.12474
 Alpha virt. eigenvalues --    3.12531   3.12824   3.13047   3.13245   3.13518
 Alpha virt. eigenvalues --    3.13954   3.14448   3.14729   3.15085   3.15467
 Alpha virt. eigenvalues --    3.15604   3.16017   3.16130   3.16412   3.16713
 Alpha virt. eigenvalues --    3.17113   3.17182   3.17551   3.18034   3.18317
 Alpha virt. eigenvalues --    3.18381   3.18647   3.19159   3.19444   3.19647
 Alpha virt. eigenvalues --    3.20046   3.20361   3.20775   3.20951   3.21463
 Alpha virt. eigenvalues --    3.21531   3.21869   3.21955   3.22514   3.22887
 Alpha virt. eigenvalues --    3.23376   3.24024   3.24144   3.24501   3.24799
 Alpha virt. eigenvalues --    3.24959   3.25196   3.25545   3.25632   3.26151
 Alpha virt. eigenvalues --    3.26612   3.26710   3.26795   3.27250   3.27369
 Alpha virt. eigenvalues --    3.27768   3.28214   3.28518   3.28802   3.29231
 Alpha virt. eigenvalues --    3.29282   3.29748   3.30042   3.30345   3.30740
 Alpha virt. eigenvalues --    3.30968   3.30986   3.31336   3.31827   3.31908
 Alpha virt. eigenvalues --    3.32406   3.32645   3.33204   3.33360   3.33858
 Alpha virt. eigenvalues --    3.34205   3.34428   3.34566   3.35123   3.35448
 Alpha virt. eigenvalues --    3.35791   3.35925   3.36337   3.36885   3.37370
 Alpha virt. eigenvalues --    3.37605   3.38081   3.38252   3.38929   3.39369
 Alpha virt. eigenvalues --    3.39477   3.39815   3.40550   3.41114   3.41243
 Alpha virt. eigenvalues --    3.41692   3.41941   3.42106   3.42300   3.42472
 Alpha virt. eigenvalues --    3.42832   3.43374   3.43541   3.43586   3.43910
 Alpha virt. eigenvalues --    3.44071   3.44814   3.44953   3.46054   3.46314
 Alpha virt. eigenvalues --    3.46465   3.47079   3.47461   3.47583   3.48092
 Alpha virt. eigenvalues --    3.48285   3.48439   3.48814   3.49402   3.50088
 Alpha virt. eigenvalues --    3.50710   3.50774   3.51015   3.51415   3.51981
 Alpha virt. eigenvalues --    3.52121   3.52318   3.52795   3.53192   3.54286
 Alpha virt. eigenvalues --    3.54870   3.55040   3.55597   3.55648   3.56054
 Alpha virt. eigenvalues --    3.56288   3.56571   3.56894   3.56989   3.57327
 Alpha virt. eigenvalues --    3.57834   3.58062   3.58460   3.58583   3.58905
 Alpha virt. eigenvalues --    3.59309   3.59829   3.60782   3.60959   3.61311
 Alpha virt. eigenvalues --    3.61478   3.61733   3.61887   3.62190   3.62730
 Alpha virt. eigenvalues --    3.62778   3.63047   3.63290   3.63561   3.64036
 Alpha virt. eigenvalues --    3.64190   3.64482   3.64920   3.65022   3.65327
 Alpha virt. eigenvalues --    3.65593   3.65897   3.66630   3.66805   3.67068
 Alpha virt. eigenvalues --    3.67364   3.67896   3.68427   3.68939   3.69417
 Alpha virt. eigenvalues --    3.69829   3.70128   3.70275   3.70681   3.71018
 Alpha virt. eigenvalues --    3.71598   3.72281   3.72769   3.72954   3.73287
 Alpha virt. eigenvalues --    3.74133   3.74768   3.75261   3.75521   3.76021
 Alpha virt. eigenvalues --    3.76219   3.76613   3.76893   3.77495   3.77657
 Alpha virt. eigenvalues --    3.78498   3.79143   3.79704   3.80397   3.80558
 Alpha virt. eigenvalues --    3.81103   3.81987   3.83333   3.83994   3.84183
 Alpha virt. eigenvalues --    3.84490   3.85282   3.85727   3.86128   3.86802
 Alpha virt. eigenvalues --    3.87510   3.88088   3.88438   3.88561   3.89167
 Alpha virt. eigenvalues --    3.89421   3.89731   3.90004   3.90381   3.90447
 Alpha virt. eigenvalues --    3.91046   3.92415   3.93080   3.93611   3.93948
 Alpha virt. eigenvalues --    3.94394   3.95072   3.95404   3.96584   3.97713
 Alpha virt. eigenvalues --    3.98313   3.98717   3.99433   4.00082   4.00962
 Alpha virt. eigenvalues --    4.01152   4.02461   4.02937   4.03099   4.03856
 Alpha virt. eigenvalues --    4.04521   4.04553   4.05593   4.06001   4.06481
 Alpha virt. eigenvalues --    4.06947   4.07390   4.08125   4.08405   4.08703
 Alpha virt. eigenvalues --    4.08917   4.09107   4.09832   4.10281   4.10582
 Alpha virt. eigenvalues --    4.11034   4.11356   4.12427   4.12552   4.12834
 Alpha virt. eigenvalues --    4.12867   4.13824   4.14000   4.14600   4.15017
 Alpha virt. eigenvalues --    4.15208   4.15421   4.16265   4.16853   4.17340
 Alpha virt. eigenvalues --    4.18228   4.18877   4.19485   4.20217   4.20515
 Alpha virt. eigenvalues --    4.21154   4.21739   4.22169   4.23058   4.23223
 Alpha virt. eigenvalues --    4.24217   4.24864   4.25460   4.26487   4.26940
 Alpha virt. eigenvalues --    4.27053   4.27892   4.28258   4.28772   4.29057
 Alpha virt. eigenvalues --    4.29429   4.29575   4.29694   4.30438   4.30999
 Alpha virt. eigenvalues --    4.31502   4.31850   4.32014   4.32289   4.32591
 Alpha virt. eigenvalues --    4.32728   4.33030   4.33181   4.33645   4.33748
 Alpha virt. eigenvalues --    4.34364   4.34533   4.35034   4.35061   4.35355
 Alpha virt. eigenvalues --    4.35648   4.36007   4.36400   4.36636   4.37087
 Alpha virt. eigenvalues --    4.37157   4.37333   4.37750   4.37845   4.38357
 Alpha virt. eigenvalues --    4.38705   4.39253   4.39769   4.39899   4.40105
 Alpha virt. eigenvalues --    4.40398   4.41182   4.41383   4.41675   4.42571
 Alpha virt. eigenvalues --    4.43051   4.43338   4.44186   4.45346   4.46147
 Alpha virt. eigenvalues --    4.47389   4.48086   4.48523   4.48947   4.49702
 Alpha virt. eigenvalues --    4.50007   4.50454   4.50705   4.50967   4.51285
 Alpha virt. eigenvalues --    4.52107   4.52491   4.52786   4.53363   4.54573
 Alpha virt. eigenvalues --    4.54978   4.56235   4.56537   4.57839   4.58241
 Alpha virt. eigenvalues --    4.58777   4.59213   4.59561   4.60096   4.60169
 Alpha virt. eigenvalues --    4.61359   4.61764   4.62274   4.63346   4.63692
 Alpha virt. eigenvalues --    4.65615   4.66138   4.66393   4.67398   4.67634
 Alpha virt. eigenvalues --    4.68204   4.68772   4.69020   4.69439   4.70050
 Alpha virt. eigenvalues --    4.70821   4.71016   4.71184   4.72487   4.72774
 Alpha virt. eigenvalues --    4.73024   4.73536   4.74408   4.74743   4.75692
 Alpha virt. eigenvalues --    4.76052   4.77338   4.77498   4.77966   4.78228
 Alpha virt. eigenvalues --    4.78588   4.79152   4.79527   4.80296   4.80955
 Alpha virt. eigenvalues --    4.81388   4.81791   4.82227   4.82462   4.83394
 Alpha virt. eigenvalues --    4.84016   4.84429   4.85088   4.85780   4.85970
 Alpha virt. eigenvalues --    4.86573   4.87302   4.88818   4.89021   4.89419
 Alpha virt. eigenvalues --    4.89986   4.90987   4.91548   4.91756   4.92216
 Alpha virt. eigenvalues --    4.93417   4.93831   4.94283   4.94844   4.95724
 Alpha virt. eigenvalues --    4.95895   4.96554   4.96902   4.97205   4.97520
 Alpha virt. eigenvalues --    4.98090   4.98687   4.99007   4.99283   5.00084
 Alpha virt. eigenvalues --    5.00877   5.01197   5.01731   5.02178   5.02777
 Alpha virt. eigenvalues --    5.03222   5.04002   5.04221   5.04370   5.04852
 Alpha virt. eigenvalues --    5.04996   5.05518   5.06010   5.06131   5.06471
 Alpha virt. eigenvalues --    5.06653   5.06935   5.07144   5.07331   5.07772
 Alpha virt. eigenvalues --    5.08482   5.09370   5.09471   5.09686   5.09932
 Alpha virt. eigenvalues --    5.10299   5.10649   5.10988   5.11465   5.11775
 Alpha virt. eigenvalues --    5.12093   5.12269   5.12439   5.12706   5.13136
 Alpha virt. eigenvalues --    5.13570   5.14398   5.15031   5.15790   5.15975
 Alpha virt. eigenvalues --    5.16215   5.17106   5.17428   5.17522   5.18133
 Alpha virt. eigenvalues --    5.18250   5.18940   5.19864   5.20093   5.21082
 Alpha virt. eigenvalues --    5.21614   5.21908   5.22209   5.22635   5.23418
 Alpha virt. eigenvalues --    5.23818   5.24088   5.25794   5.25925   5.26400
 Alpha virt. eigenvalues --    5.26555   5.27353   5.27566   5.28052   5.28377
 Alpha virt. eigenvalues --    5.29011   5.30194   5.31140   5.32147   5.33008
 Alpha virt. eigenvalues --    5.34331   5.35257   5.36977   5.37290   5.38113
 Alpha virt. eigenvalues --    5.38605   5.39525   5.40838   5.42220   5.42547
 Alpha virt. eigenvalues --    5.44124   5.46774   5.47448   5.47543   5.48021
 Alpha virt. eigenvalues --    5.48718   5.49196   5.50054   5.51049   5.52066
 Alpha virt. eigenvalues --    5.52436   5.53274   5.54325   5.55362   5.55621
 Alpha virt. eigenvalues --    5.55768   5.56126   5.56574   5.56836   5.57273
 Alpha virt. eigenvalues --    5.57559   5.58502   5.58586   5.59092   5.59440
 Alpha virt. eigenvalues --    5.60334   5.61074   5.61455   5.62494   5.63165
 Alpha virt. eigenvalues --    5.63821   5.64871   5.65157   5.66210   5.66609
 Alpha virt. eigenvalues --    5.67133   5.67706   5.68736   5.69654   5.70388
 Alpha virt. eigenvalues --    5.70748   5.71487   5.72178   5.72252   5.73350
 Alpha virt. eigenvalues --    5.73714   5.74943   5.75385   5.75740   5.76782
 Alpha virt. eigenvalues --    5.77677   5.78129   5.79640   5.81622   5.84169
 Alpha virt. eigenvalues --    5.84418   5.85250   5.87151   5.87710   5.91409
 Alpha virt. eigenvalues --    5.94332   5.95501   5.98581   5.99839   6.00797
 Alpha virt. eigenvalues --    6.04117   6.05831   6.05995   6.08502   6.10482
 Alpha virt. eigenvalues --    6.12844   6.13911   6.18001   6.19819   6.21160
 Alpha virt. eigenvalues --    6.22272   6.23029   6.24985   6.34108   6.34263
 Alpha virt. eigenvalues --    6.35182   6.36125   6.37708   6.39793   6.40519
 Alpha virt. eigenvalues --    6.41141   6.41859   6.45229   6.46374   6.47874
 Alpha virt. eigenvalues --    6.55192   6.61453   6.68732   6.70313   6.70587
 Alpha virt. eigenvalues --    6.72014   6.75073   6.81687   6.83145   6.85263
 Alpha virt. eigenvalues --    6.87005   6.89370   6.91107   7.09452   7.11113
 Alpha virt. eigenvalues --    7.12535   7.20978   7.25618   7.26121   7.36848
 Alpha virt. eigenvalues --    7.37319   7.41447   7.41906   7.44248   7.44479
 Alpha virt. eigenvalues --    7.44917   7.46137   7.49390   7.51287   7.51778
 Alpha virt. eigenvalues --    7.52798   7.53443   7.54469   7.54790   7.55106
 Alpha virt. eigenvalues --    7.55885   7.56242   7.56919   7.57233   7.57531
 Alpha virt. eigenvalues --    7.58679   7.58793   7.59905   7.60525   7.60690
 Alpha virt. eigenvalues --    7.65181   7.66620   7.66927   7.67939   7.68036
 Alpha virt. eigenvalues --    7.68609   7.70505   7.70963   7.72053   7.73101
 Alpha virt. eigenvalues --    7.73618   7.74843   7.75399   7.76688   7.77675
 Alpha virt. eigenvalues --    7.78344   7.78639   7.79172   7.80410   7.81353
 Alpha virt. eigenvalues --    7.81676   7.82568   7.83588   7.84926   7.87660
 Alpha virt. eigenvalues --    7.88159   7.89115   7.89758   7.91066   7.92212
 Alpha virt. eigenvalues --    7.92941   7.94287   7.94880   7.95985   7.96871
 Alpha virt. eigenvalues --    7.97156   7.97440   7.98295   7.99380   8.00098
 Alpha virt. eigenvalues --    8.01014   8.01847   8.02169   8.02898   8.03437
 Alpha virt. eigenvalues --    8.04178   8.04491   8.05881   8.06513   8.06863
 Alpha virt. eigenvalues --    8.07735   8.08798   8.09292   8.09437   8.10390
 Alpha virt. eigenvalues --    8.11024   8.12130   8.12608   8.13013   8.14706
 Alpha virt. eigenvalues --    8.15350   8.16016   8.18633   8.21905   8.22368
 Alpha virt. eigenvalues --    8.24152   8.26635   8.28556   8.30121   8.32536
 Alpha virt. eigenvalues --    8.35129   8.36512   8.37710   8.45059   8.46397
 Alpha virt. eigenvalues --    8.49434   8.50534   8.51087   8.51874   8.52536
 Alpha virt. eigenvalues --    8.52769   8.53234   8.53636   8.53995   8.54369
 Alpha virt. eigenvalues --    8.55258   8.55574   8.55995   8.56732   8.57136
 Alpha virt. eigenvalues --    8.57483   8.57989   8.58420   8.58873   8.58963
 Alpha virt. eigenvalues --    8.59383   8.60399   8.60866   8.61477   8.61526
 Alpha virt. eigenvalues --    8.61940   8.62363   8.62807   8.63077   8.63576
 Alpha virt. eigenvalues --    8.64325   8.64419   8.64813   8.64893   8.65634
 Alpha virt. eigenvalues --    8.65869   8.66813   8.68166   8.68785   8.69275
 Alpha virt. eigenvalues --    8.69512   8.70331   8.70754   8.72950   8.73395
 Alpha virt. eigenvalues --    8.73485   8.74886   8.75710   8.76182   8.76414
 Alpha virt. eigenvalues --    8.76972   8.77461   8.78398   8.78756   8.79130
 Alpha virt. eigenvalues --    8.79338   8.80079   8.80743   8.80853   8.81685
 Alpha virt. eigenvalues --    8.81788   8.82592   8.82666   8.82867   8.83325
 Alpha virt. eigenvalues --    8.83796   8.84184   8.84320   8.84884   8.85483
 Alpha virt. eigenvalues --    8.86031   8.86628   8.87389   8.87468   8.87635
 Alpha virt. eigenvalues --    8.87798   8.88535   8.89280   8.89852   8.90456
 Alpha virt. eigenvalues --    8.90979   8.91532   8.91912   8.92370   8.92514
 Alpha virt. eigenvalues --    8.92637   8.94033   8.94252   8.94954   8.95951
 Alpha virt. eigenvalues --    8.96214   8.97634   8.98731   8.99518   9.01445
 Alpha virt. eigenvalues --    9.04170   9.05990   9.07359   9.09663   9.11616
 Alpha virt. eigenvalues --    9.13560   9.14147   9.19192   9.23269   9.44539
 Alpha virt. eigenvalues --    9.45301   9.48011   9.49444   9.50078   9.51596
 Alpha virt. eigenvalues --    9.51702   9.55349   9.56210   9.63047   9.69912
 Alpha virt. eigenvalues --    9.70028   9.70387   9.72153   9.73528   9.74619
 Alpha virt. eigenvalues --    9.74845   9.78095   9.79683   9.82297   9.85159
 Alpha virt. eigenvalues --    9.85674   9.87157   9.87504   9.87741   9.88181
 Alpha virt. eigenvalues --    9.88583   9.89537   9.89729   9.90333   9.90594
 Alpha virt. eigenvalues --    9.90999   9.91236   9.91694   9.91893   9.93218
 Alpha virt. eigenvalues --    9.93666   9.94886   9.95361   9.95823   9.96818
 Alpha virt. eigenvalues --    9.98223  10.04621  10.67377  10.67944  10.68958
 Alpha virt. eigenvalues --   10.71691  10.74223  10.75689  10.75726  10.76754
 Alpha virt. eigenvalues --   10.77790  10.79125  10.81263  10.84806  10.85738
 Alpha virt. eigenvalues --   10.86875  10.88474  10.90147  11.04848  11.05690
 Alpha virt. eigenvalues --   11.06416  11.07356  11.13808  11.34066  11.35791
 Alpha virt. eigenvalues --   11.42001  11.43579  11.53139  11.55205  11.59691
 Alpha virt. eigenvalues --   11.60840  11.66767  11.68875  11.73239  11.76876
 Alpha virt. eigenvalues --   12.09115  12.10476  14.59673  14.64240  14.66433
 Alpha virt. eigenvalues --   14.68434  14.68548  14.68749  14.69594  14.69999
 Alpha virt. eigenvalues --   14.74809  14.76238  14.82312  14.83320  14.83714
 Alpha virt. eigenvalues --   14.85237  14.85606  14.89563  14.91650  14.98541
 Alpha virt. eigenvalues --   14.99586  15.00557  15.04379  15.06932  15.10458
 Alpha virt. eigenvalues --   15.17624  15.28685  15.33656  15.37587  15.38326
 Alpha virt. eigenvalues --   15.51695  15.75897  25.12214  25.12693  25.15519
 Alpha virt. eigenvalues --   25.21026  25.22307  25.29444  25.83523  25.86186
 Alpha virt. eigenvalues --   25.90227  25.92060  25.93992  25.94690  26.03003
 Alpha virt. eigenvalues --   26.05626  26.06467  26.11592  26.14033  26.30725
 Alpha virt. eigenvalues --   26.36063  26.41294  26.42811  26.43962  26.45990
 Alpha virt. eigenvalues --   36.45831  36.46910  36.91565  36.92531  36.95129
 Alpha virt. eigenvalues --   36.96498  37.38159  50.55062  50.56262  50.57646
 Alpha virt. eigenvalues --   50.61616  50.68453  50.89370
          Condensed to atoms (all electrons):
 Mulliken charges:
               1
     1  C   -0.210030
     2  C    0.109731
     3  C    0.229320
     4  C    0.525538
     5  O   -0.678977
     6  O   -0.803613
     7  C   -0.140648
     8  C    0.010568
     9  C    0.431890
    10  C    0.157150
    11  N   -1.111724
    12  C    0.673145
    13  N   -0.237716
    14  C   -0.189609
    15  C   -0.006098
    16  C    0.443080
    17  C    0.056006
    18  N   -1.136649
    19  C    0.755989
    20  N   -0.220415
    21  H    0.041299
    22  H   -0.023949
    23  H   -0.012240
    24  H    0.035644
    25  H   -0.050654
    26  H   -0.083263
    27  H   -0.010118
    28  H    0.079745
    29  H    0.061641
    30  H   -0.019252
    31  H   -0.007451
    32  H   -0.035358
    33  H   -0.183386
    34  H    0.352993
    35  H   -0.019838
    36  H    0.010591
    37  H    0.016064
    38  H    0.045584
    39  H   -0.007879
    40  H   -0.026093
    41  H   -0.040808
    42  H    0.341477
    43  H   -0.058380
    44  O   -1.182955
    45  H    0.466587
    46  H    0.940786
    47  C    0.879805
    48  O   -0.466629
    49  N   -0.894353
    50  C    0.060449
    51  C    0.872475
    52  O   -0.476044
    53  N   -0.834284
    54  H    0.088428
    55  H   -0.089907
    56  H    0.292069
    57  H    0.272554
    58  C    0.330919
    59  H   -0.125766
    60  H   -0.035605
    61  H    0.199403
    62  C   -0.237753
    63  H    0.014813
    64  H    0.059839
    65  H   -0.051207
    66  C   -0.045119
    67  H   -0.053756
    68  H    0.040909
    69  C    0.051511
    70  H    0.047718
    71  H   -0.100793
    72  O   -0.177229
    73  C    0.302794
    74  N   -0.896253
    75  H    0.318193
    76  H    0.522698
    77  C   -0.213004
    78  H   -0.039439
    79  H    0.004799
    80  H    0.090042
 Sum of Mulliken charges =  -1.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.204921
     2  C    0.094720
     3  C    0.135939
     4  C    0.525538
     5  O   -0.678977
     6  O    0.137172
     7  C   -0.018514
     8  C   -0.032241
     9  C    0.431890
    10  C   -0.026237
    11  N   -0.758731
    12  C    0.653307
    13  N   -0.237716
    14  C   -0.117370
    15  C   -0.040069
    16  C    0.443080
    17  C    0.015197
    18  N   -0.795172
    19  C    0.697609
    20  N   -0.220415
    44  O   -0.716367
    47  C    0.879805
    48  O   -0.466629
    49  N   -0.602284
    50  C    0.058970
    51  C    0.872475
    52  O   -0.476044
    53  N   -0.561730
    58  C    0.368951
    62  C   -0.214309
    66  C   -0.057966
    69  C   -0.001564
    72  O   -0.177229
    73  C    0.302794
    74  N   -0.055363
    77  C   -0.157602
 Electronic spatial extent (au):  <R**2>=          19498.8960
 Charge=             -1.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -6.0051    Y=              2.7949    Z=              4.7122  Tot=              8.1288
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=           -236.4698   YY=           -209.1965   ZZ=           -224.2919
   XY=             -3.2211   XZ=              7.1271   YZ=              4.4193
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -13.1504   YY=             14.1229   ZZ=             -0.9725
   XY=             -3.2211   XZ=              7.1271   YZ=              4.4193
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=           -177.0610  YYY=            156.0148  ZZZ=            -26.6326  XYY=            -36.2017
  XXY=             66.4252  XXZ=             26.2167  XZZ=            -41.3427  YZZ=             15.7060
  YYZ=            -40.8972  XYZ=             -5.3856
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=         -12616.6821 YYYY=          -7417.8562 ZZZZ=          -6814.0751 XXXY=            -96.6770
 XXXZ=            -68.6224 YYYX=            -49.2477 YYYZ=           -136.1630 ZZZX=             36.9711
 ZZZY=            207.6758 XXYY=          -3316.5856 XXZZ=          -3127.4275 YYZZ=          -2338.6562
 XXYZ=            -12.0846 YYXZ=            141.4555 ZZXY=             50.1677
 N-N= 4.351178552882D+03 E-N=-1.279586916096D+04  KE= 1.727568163521D+03
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 OF ALL THE WONDERS OF THE UNIVERSE, THE GREATEST IS MAN.

                                    -- ARISTOTLE
 Job cpu time:       1 days 23 hours 50 minutes 24.1 seconds.
 File lengths (MBytes):  RWF=   2470 Int=      0 D2E=      0 Chk=    167 Scr=      1
 Normal termination of Gaussian 09 at Tue Jun 30 21:46:47 2020.
